CAS Registry Number: 5399-94-0

Name:

7H-​Pyrazolo[4,​3-​d]​pyrimidin-​7-​one, 1,​6-​dihydro-​3-​methyl-
1H-​Pyrazolo[4,​3-​d]​pyrimidin-​7-​ol, 3-​methyl- (6CI,​8CI); 7-​Hydroxy-​3-​methylpyrazolo[4,​3-​d]​pyrimidine; NSC 4941 

Chemical Formula: C6H6N4O
Exact Mass: 150.05
Molecular Weight: 150.14
m/z: 150.05 (100.0%), 151.06 (6.6%), 151.05 (1.5%)

InChI: InChI=1S/C6H6N4O/c1-3-4-5(10-9-3)6(11)8-2-7-4/h2H,1H3,(H,9,10)(H,7,8,11)
InChIKey: CLQCSOBKSCRQQT-UHFFFAOYSA-N
Canonical SMILES : CC1=C2C(=NN1)C(=O)N=CN2

Specification

98%

1. (1) Chenon, Marie T.; Journal of the American Chemical Society 1976, V98(16), P4736-45 CAPLUS
2. (2) Takei, Hisashi; Bulletin of the Chemical Society of Japan 1979, V52(1), P208-11 CAPLUS